{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.76358 0.508645 0.208696 ] [ 0.23642 0.008645 0.791304 ] [ 0.206273 0.240384 0.342644 ] [ 0.793727 0.740384 0.657356 ] [ 0.283051 0.746797 0.428344 ] [ 0.716949 0.246797 0.571656 ] [ 0.276848 0.257258 0.0746 ] [ 0.723152 0.757258 0.9254 ] [ 0.69044 0.744254 0.053484 ] [ 0.06261 0.255543 0.135443 ] [ 0.451308 0.270291 0.174066 ] [ 0.205403 0.940373 0.320865 ] [ 0.179489 0.548428 0.334254 ] [ 0.844854 0.263606 0.405879 ] [ 0.585791 0.726572 0.458355 ] [ 0.414209 0.226572 0.541645 ] [ 0.155146 0.763606 0.594121 ] [ 0.820511 0.048428 0.665746 ] [ 0.794597 0.440373 0.679135 ] [ 0.548692 0.770291 0.825934 ] [ 0.93739 0.755543 0.864557 ] [ 0.30956 0.244254 0.946516 ] ] } "species" { "source-value" [ "Na" "Na" "Sb" "Sb" "As" "As" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.67436272 "source-unit" "angstrom" } "b" { "source-value" 6.91753589 "source-unit" "angstrom" } "c" { "source-value" 9.40365601 "source-unit" "angstrom" } "beta" { "source-value" 91.00323375 "source-unit" "degree" } }